SCHEMBL4356072

SCHEMBL4356072

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
RAB9A P51151 1/20 0.68
KLKB1 P03952 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ESRRB O95718 1/20 0.51
GLA P06280 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
UTS2R Q9UKP6 1/20 0.49
ERAP2 Q6P179 2/20 0.49
LNPEP Q9UIQ6 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4363867 0.87 GAA (0.53) GAARAB9AKLKB1UTS2RITGB3
SCHEMBL22604687 0.86 GAA (0.69) GAARAB9AKLKB1ALDH1A1LMNA
SCHEMBL4362510 0.85 GAA (0.71) GAARAB9AKLKB1ALDH1A1LMNA
SCHEMBL27933195 0.84 ITGB3 (0.52) GAARAB9AKLKB1UTS2RITGB3
SCHEMBL30074931 0.84 ITGB3 (0.52) GAARAB9AKLKB1UTS2RITGB3
SCHEMBL11775172 0.84 KLKB1 (0.61) KLKB1ITGB3ITGA2B
SCHEMBL13669573 0.83 GAA (0.69) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4369272 0.83 GAA (0.69) GAARAB9AALDH1A1LMNAGLA
Hydrochloric Acid SCHEMBL4370941 0.83 ITGB3 (0.51) GAARAB9AKLKB1UTS2RITGB3
Hydrochloric Acid SCHEMBL27679182 0.83 ITGB3 (0.51) GAARAB9AKLKB1UTS2RITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP GAA 407/4885RAB9A 2865/4885KLKB1 1426/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.